262605-69-6
A-D-MANNOPYRANOSIDE, PHENYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-
NameA-D-MANNOPYRANOSIDE, PHENYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-
1Identification
【Name】
A-D-MANNOPYRANOSIDE, PHENYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-
【CAS】
【MDL】
MFCD13182592
【English Synonyms】
【Formula】
C52H48O5S
【MolWeight】
785.012
【Inchi】
InChI=1S/C52H48O5S/c1-8-22-40(23-9-1)36-53-48-47(39-56-52(43-28-14-4-15-29-43,44-30-16-5-17-31-44)45-32-18-6-19-33-45)57-51(58-46-34-20-7-21-35-46)50(55-38-42-26-12-3-13-27-42)49(48)54-37-41-24-10-2-11-25-41/h1-35,47-51H,36-39H2/t47-,48-,49+,50+,51-/m1/s1
【InChIKey】
InChIKey=IILPYWOFUQYONX-YJJXBSEXSA-N
【SMILES】
C(OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[C@H]1O[C@H](SC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1
【MOL File】
A-D-MANNOPYRANOSIDE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:10.8865
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
A-D-MANNOPYRANOSIDE, PHENYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-.cml